3-nitro-4-[4-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-yl]benzamide

Systemtic Name: 3-nitro-4-[4-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-yl]benzamide Openeye Name: 3-nitro-4-[4-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-yl]benzamide CAS Name: 3-nitro-4-[4-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1-piperazin-4-iumyl]benzamide IUPAC Name: 3-nitro-4-[4-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-yl]benzamide Traditional Name: 4-[4-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzamide Formula: C20H22N6O4+2 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=CC=CC=C3N2)C4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=CC=CC=C3N2)C4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O4/c21-20(28)14-4-5-16(17(11-14)26(29)30)24-9-7-23(8-10-24)13-15-12-19(27)25-6-2-1-3-18(25)22-15/h1-6,11-12H,7-10,13H2,(H2,21,28)/p+2